UCSF

ZINC01867149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 -1.32 -54.08 2 4 1 47 257.313 5
Lo Low (pH 4.5-6) 1.95 -1.2 -116.57 3 4 2 49 258.321 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )